{ "unrelaxed-periodic-cell-vector-1" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ 5.5048e-10 0.0 0.0 ] "source-value" [ 5.5048 0 0 ] } "unrelaxed-periodic-cell-vector-2" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ 1.92448e-12 5.36034e-10 0.0 ] "source-value" [ 0.0192448 5.36034 0 ] } "unrelaxed-periodic-cell-vector-3" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ 1.90348e-11 1.57222e-12 5.58687e-10 ] "source-value" [ 0.190348 0.0157222 5.58687 ] } "species" { "source-value" [ "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" ] } "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/configuration-nonorthogonal-periodic-3d-cell-fixed-particles-fixed" "unrelaxed-configuration-forces" { "si-unit" "kg m / s^2" "source-unit" "eV/angstrom" "si-value" [ [ 8.219520145737197e-10 1.319014173328629e-09 -6.641928925183372e-10 ] [ -7.888790836788556e-10 7.5220189625784e-10 -9.772346522263316e-10 ] [ -1.289295719624734e-09 -9.537523505835762e-10 6.245140271982528e-11 ] [ 5.381727291033408e-10 -3.211832202065895e-10 1.571989850869845e-09 ] [ 1.331160434508576e-09 2.214759238703155e-10 -1.855852449524506e-10 ] [ 7.859652050586067e-10 -2.450163845244058e-10 -4.254831558263866e-10 ] [ -7.964173246797197e-10 4.019857937233958e-10 1.516687680667354e-10 ] [ -6.026582552609338e-10 -1.174725671647947e-09 4.663859238671002e-10 ] ] "source-value" [ [ 0.5130221 0.8232639 -0.4145566 ] [ -0.4923796 0.4694875 -0.6099419 ] [ -0.8047151 -0.5952854 0.0389791 ] [ 0.335901 -0.2004668 0.9811589 ] [ 0.830845 0.1382344 -0.1158332 ] [ 0.4905609 -0.1529272 -0.2655657 ] [ -0.4970846 0.2508998 0.0946642 ] [ -0.3761497 -0.7332061 0.2910952 ] ] } "instance-id" 1 "unrelaxed-configuration-positions" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ [ -1.13409e-12 -6.87251e-12 -7.641280000000001e-12 ] [ 1.39555e-10 1.34846e-10 1.39039e-10 ] [ 1.52538e-11 2.8802e-10 2.74744e-10 ] [ 1.52254e-10 4.15487e-10 3.864390000000001e-10 ] [ 2.76536e-10 1.71046e-12 2.52424e-10 ] [ 4.13989e-10 1.28016e-10 4.0502e-10 ] [ 2.78466e-10 2.66896e-10 -1.7742e-11 ] [ 4.2307e-10 4.058290000000001e-10 1.13615e-10 ] ] "source-value" [ [ -0.0113409 -0.0687251 -0.0764128 ] [ 1.39555 1.34846 1.39039 ] [ 0.152538 2.8802 2.74744 ] [ 1.52254 4.15487 3.86439 ] [ 2.76536 0.0171046 2.52424 ] [ 4.13989 1.28016 4.0502 ] [ 2.78466 2.66896 -0.17742 ] [ 4.2307 4.05829 1.13615 ] ] } "unrelaxed-potential-energy" { "si-unit" "kg m^2 / s^2" "source-unit" "eV" "si-value" 2.345166161705902e-17 "source-value" 146.37376 } }